3-[[2-(4-ethoxyphenyl)imino-3-methyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[2-(4-ethoxyphenyl)imino-3-methyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[(4-keto-3-methyl-2-p-phenetylimino-1,3-thiazinane-6-carbonyl)amino]benzoic acid Formula: C21H21N3O5S MolecularWeight: 427.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C21H21N3O5S/c1-3-29-16-9-7-14(8-10-16)23-21-24(2)18(25)12-17(30-21)19(26)22-15-6-4-5-13(11-15)20(27)28/h4-11,17H,3,12H2,1-2H3,(H,22,26)(H,27,28)